1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone

C16H21N5O2 — CID 119100669

IUPAC1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(OC2CCN(C(=O)Cn3cccn3)CC2)nc(C)n1
InChIInChI=1S/C16H21N5O2/c1-12-10-15(19-13(2)18-12)23-14-4-8-20(9-5-14)16(22)11-21-7-3-6-17-21/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3
InChIKeyMILXTWPIPGUBGF-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone

1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 119100669) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID119100669
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(OC2CCN(C(=O)Cn3cccn3)CC2)nc(C)n1
InChIInChI=1S/C16H21N5O2/c1-12-10-15(19-13(2)18-12)23-14-4-8-20(9-5-14)16(22)11-21-7-3-6-17-21/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3
InChIKeyMILXTWPIPGUBGF-UHFFFAOYSA-N
XLogP1.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 53575810
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 53611605
[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100623698
1-(2-(4-((2,6-Dimethylpyrimidin-4-yl)oxy)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 119100660
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
[(3S)-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 129523132
1-[4-[2-[(4,4-Difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 132207638
1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 121017710
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(pyrimidin-2-yl)methanone
CID 121017738

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone (CID 119100669) is 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cc(OC2CCN(C(=O)Cn3cccn3)CC2)nc(C)n1.
What is the InChIKey of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is MILXTWPIPGUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-10-15(19-13(2)18-12)23-14-4-8-20(9-5-14)16(22)11-21-7-3-6-17-21/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 315.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 119100669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).